N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C17H27N3O4 — CID 772534

IUPACN-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C17H27N3O4/c1-23-14-3-4-16(24-2)15(13-14)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22)
InChIKeyZLZFSPYVZNCFPG-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.64
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 772534) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID772534
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C17H27N3O4/c1-23-14-3-4-16(24-2)15(13-14)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22)
InChIKeyZLZFSPYVZNCFPG-UHFFFAOYSA-N
XLogP0.64
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 772534) is N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is COc1ccc(OC)c(NC(=O)CCN2CCN(CCO)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is ZLZFSPYVZNCFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-23-14-3-4-16(24-2)15(13-14)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 772534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).